Articles producció científica> Química Física i Inorgànica

Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics

  • Datos identificativos

    Identificador: imarina:5169089
    Autores:
    Simonov S, Zorina L, Wzietek P, Rodríguez-Fortea A, Canadell E, Mézière C, Bastien G, Lemouchi C, Garcia-Garibay MA, Batail P.
    Resumen:
    Here we present a study where what can be seen as a static modulation wave encompassing four successive arrays of interacting iodine atoms in crystalline 1,4-Bis((4'-(iodoethynyl)phenyl) ethynyl)bicyclo[2,2,2]octane rotors changes the structure from one-half molecule to three-and-a-half molecules in the asymmetric unit below a phase transition at 105 K. The remarkable finding is that the total 1H spin-lattice relaxation rate, T1-1, of unprecedented complexity to date in molecular rotors, is the weighted sum of the relaxation rates of the four contributing rotors relaxation rates, each with distinguishable exchange frequencies reflecting Arrhenius parameters with different activation barriers ( Ea) and attempt frequencies (?o-1). This allows us to show in tandem with rotor-environment interaction energy calculations how the dynamics of molecular rotors are able to decode structural information from their surroundings with remarkable nanoscale precision.
  • Otros:

    Autor según el artículo: Simonov S, Zorina L, Wzietek P, Rodríguez-Fortea A, Canadell E, Mézière C, Bastien G, Lemouchi C, Garcia-Garibay MA, Batail P.
    Departamento: Química Física i Inorgànica
    Autor/es de la URV: Rodríguez Fortea, Antonio
    Palabras clave: Spin-lattice relaxation Solid state nmr Self-assembly Rotors Rotational barriers Rotation barriers Molecular rotors Mechanism of rotation Dft calculations self-assembly rotational barriers molecular rotors mechanism of rotation dft calculations
    Resumen: Here we present a study where what can be seen as a static modulation wave encompassing four successive arrays of interacting iodine atoms in crystalline 1,4-Bis((4'-(iodoethynyl)phenyl) ethynyl)bicyclo[2,2,2]octane rotors changes the structure from one-half molecule to three-and-a-half molecules in the asymmetric unit below a phase transition at 105 K. The remarkable finding is that the total 1H spin-lattice relaxation rate, T1-1, of unprecedented complexity to date in molecular rotors, is the weighted sum of the relaxation rates of the four contributing rotors relaxation rates, each with distinguishable exchange frequencies reflecting Arrhenius parameters with different activation barriers ( Ea) and attempt frequencies (?o-1). This allows us to show in tandem with rotor-environment interaction energy calculations how the dynamics of molecular rotors are able to decode structural information from their surroundings with remarkable nanoscale precision.
    Áreas temáticas: Química Physics, condensed matter Physics, applied Odontología Nanoscience and nanotechnology Nanoscience & nanotechnology Medicina iii Medicina ii Medicina i Mechanical engineering Materials science, multidisciplinary Materials science (miscellaneous) Materials science (all) Materiais Interdisciplinar General materials science General chemistry Ensino Engenharias iv Engenharias iii Engenharias ii Condensed matter physics Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, physical Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Biotecnología Bioengineering Astronomia / física
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 15306984
    Direcció de correo del autor: antonio.rodriguezf@urv.cat
    Identificador del autor: 0000-0001-5884-5629
    Fecha de alta del registro: 2024-09-07
    Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
    Enlace a la fuente original: https://pubs.acs.org/doi/10.1021/acs.nanolett.8b00956
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referencia al articulo segun fuente origial: Nano Letters. 18 (6): 3780-3784
    Referencia de l'ítem segons les normes APA: Simonov S, Zorina L, Wzietek P, Rodríguez-Fortea A, Canadell E, Mézière C, Bastien G, Lemouchi C, Garcia-Garibay MA, Batail P. (2018). Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics. Nano Letters, 18(6), 3780-3784. DOI: 10.1021/acs.nanolett.8b00956
    DOI del artículo: 10.1021/acs.nanolett.8b00956
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2018
    Tipo de publicación: Journal Publications
  • Palabras clave:

    Bioengineering,Chemistry (Miscellaneous),Chemistry, Multidisciplinary,Chemistry, Physical,Condensed Matter Physics,Materials Science (Miscellaneous),Materials Science, Multidisciplinary,Mechanical Engineering,Nanoscience & Nanotechnology,Nanoscience and Nanotechnology,Physics, Applied,Physics, Condensed Matter
    Spin-lattice relaxation
    Solid state nmr
    Self-assembly
    Rotors
    Rotational barriers
    Rotation barriers
    Molecular rotors
    Mechanism of rotation
    Dft calculations
    self-assembly
    rotational barriers
    molecular rotors
    mechanism of rotation
    dft calculations
    Química
    Physics, condensed matter
    Physics, applied
    Odontología
    Nanoscience and nanotechnology
    Nanoscience & nanotechnology
    Medicina iii
    Medicina ii
    Medicina i
    Mechanical engineering
    Materials science, multidisciplinary
    Materials science (miscellaneous)
    Materials science (all)
    Materiais
    Interdisciplinar
    General materials science
    General chemistry
    Ensino
    Engenharias iv
    Engenharias iii
    Engenharias ii
    Condensed matter physics
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências agrárias i
    Chemistry, physical
    Chemistry, multidisciplinary
    Chemistry (miscellaneous)
    Chemistry (all)
    Biotecnología
    Bioengineering
    Astronomia / física
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